[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine

C19H24N2O2 — CID 110449570

IUPAC[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccc(C(C)N2Cc3c(OC)cccc3C2CN)cc1
InChIInChI=1S/C19H24N2O2/c1-13(14-7-9-15(22-2)10-8-14)21-12-17-16(18(21)11-20)5-4-6-19(17)23-3/h4-10,13,18H,11-12,20H2,1-3H3
InChIKeyDRKVQVDQDJBNRV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.28
Rot. Bonds5

About [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine

[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 110449570) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID110449570
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
SMILESCOc1ccc(C(C)N2Cc3c(OC)cccc3C2CN)cc1
InChIInChI=1S/C19H24N2O2/c1-13(14-7-9-15(22-2)10-8-14)21-12-17-16(18(21)11-20)5-4-6-19(17)23-3/h4-10,13,18H,11-12,20H2,1-3H3
InChIKeyDRKVQVDQDJBNRV-UHFFFAOYSA-N
XLogP3.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine
CID 82544921
(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545651
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
(2-hexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82545401
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
[6-methoxy-2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545446
[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545386
(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545491
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
3-[1-(aminomethyl)-4-methoxy-1,3-dihydroisoindol-2-yl]-N-benzyl-N-methylpropan-1-amine
CID 110449575
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430
(3aR,9bR)-6-methoxy-2-[(1S)-1-phenylethyl]-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 10614708

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine (CID 110449570) is [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine is COc1ccc(C(C)N2Cc3c(OC)cccc3C2CN)cc1.
What is the InChIKey of [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is DRKVQVDQDJBNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(14-7-9-15(22-2)10-8-14)21-12-17-16(18(21)11-20)5-4-6-19(17)23-3/h4-10,13,18H,11-12,20H2,1-3H3.
What are the key properties of [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine?
[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 312.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 110449570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).